Ligand name: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
PDB ligand accession: MI1
DrugBank: DB08895
PubChem: 9926791
ChEMBL: CHEMBL221959
InChI Key: UJLAWZDWDVHWOW-YPMHNXCESA-N
SMILES: CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: N-acylpiperidines

List of PDB structures and/or AlphaFold models with target protein Q16512

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4OTI	Download	Experimental	e4otiA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot